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ACROSORGANICS-ZINC01575724

 MMsINC code: MMs00009346
Type: Neutral
Formula: C10H18O
SMILES:   O=C1CCCCCCCCC1
InChI:   InChI=1/C10H18O/c11-10-8-6-4-2-1-3-5-7-9-10/h1-9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.5524 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.253 g/mol  logS: -2.81421  SlogP: 3.08  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.258066  Sterimol/B1: 2.47935  Sterimol/B2: 2.5667  Sterimol/B3: 3.55064
  Sterimol/B4: 6.4547  Sterimol/L: 9.10871 
 
 Surface and Volume Properties
  Accessible surface: 343.843  Positive charged surface: 240.681  Negative charged surface: 103.162  Volume: 175.125
  Hydrophobic surface: 307.794  Hydrophilic surface: 36.049
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.